Information card for entry 7015140

Structure parameters

• Formula: C66 H119 Cr6 F7 N2 O24
• Calculated formula: C66 H119 Cr6 F7 N2 O24
• Title of publication: Varying spin state composition by the choice of capping ligand in a family of molecular chains: detailed analysis of magnetic properties of chromium(III) horseshoes.
• Authors of publication: Baker, Michael L.; Bianchi, Alberto; Carretta, Stefano; Collison, David; Docherty, Rebecca J.; McLnnes, Eric J. L.; McRobbie, Andrew; Muryn, Christopher A.; Mutka, Hannu; Piligkos, Stergios; Rancan, Marzio; Santini, Paolo; Timco, Grigore A.; Tregenna-Piggott, Philip L W; Tuna, Floriana; Güdel, Hans U; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2725 - 2734
• a: 11.8455 ± 0.0005 Å
• b: 17.3967 ± 0.0009 Å
• c: 24.6928 ± 0.0011 Å
• α: 100.75 ± 0.004°
• β: 98.088 ± 0.004°
• γ: 108.911 ± 0.004°
• Cell volume: 4617.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.254
• Weighted residual factors for all reflections included in the refinement: 0.2775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No